(2-oxo-1,2-diphenylethyl) 3-acetamido-4-methylbenzoate

C24H21NO4 — CID 2934084

IUPAC(2-oxo-1,2-diphenylethyl) 3-acetamido-4-methylbenzoate
SMILESCC(=O)Nc1cc(C(=O)OC(C(=O)c2ccccc2)c2ccccc2)ccc1C
InChIInChI=1S/C24H21NO4/c1-16-13-14-20(15-21(16)25-17(2)26)24(28)29-23(19-11-7-4-8-12-19)22(27)18-9-5-3-6-10-18/h3-15,23H,1-2H3,(H,25,26)
InChIKeyHQTTXEOZFSLGEV-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.73
Rot. Bonds6

About (2-oxo-1,2-diphenylethyl) 3-acetamido-4-methylbenzoate

(2-oxo-1,2-diphenylethyl) 3-acetamido-4-methylbenzoate (PubChem CID 2934084) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is (2-oxo-1,2-diphenylethyl) 3-acetamido-4-methylbenzoate.

Molecular Properties

Compound Name(2-oxo-1,2-diphenylethyl) 3-acetamido-4-methylbenzoate
PubChem CID2934084
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name(2-oxo-1,2-diphenylethyl) 3-acetamido-4-methylbenzoate
SMILESCC(=O)Nc1cc(C(=O)OC(C(=O)c2ccccc2)c2ccccc2)ccc1C
InChIInChI=1S/C24H21NO4/c1-16-13-14-20(15-21(16)25-17(2)26)24(28)29-23(19-11-7-4-8-12-19)22(27)18-9-5-3-6-10-18/h3-15,23H,1-2H3,(H,25,26)
InChIKeyHQTTXEOZFSLGEV-UHFFFAOYSA-N
XLogP4.73
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,2-diphenylethyl) 3-acetamido-4-methylbenzoate?
The IUPAC name of (2-oxo-1,2-diphenylethyl) 3-acetamido-4-methylbenzoate (CID 2934084) is (2-oxo-1,2-diphenylethyl) 3-acetamido-4-methylbenzoate.
What is the SMILES notation for (2-oxo-1,2-diphenylethyl) 3-acetamido-4-methylbenzoate?
The canonical SMILES for (2-oxo-1,2-diphenylethyl) 3-acetamido-4-methylbenzoate is CC(=O)Nc1cc(C(=O)OC(C(=O)c2ccccc2)c2ccccc2)ccc1C.
What is the InChIKey of (2-oxo-1,2-diphenylethyl) 3-acetamido-4-methylbenzoate?
The InChIKey is HQTTXEOZFSLGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c1-16-13-14-20(15-21(16)25-17(2)26)24(28)29-23(19-11-7-4-8-12-19)22(27)18-9-5-3-6-10-18/h3-15,23H,1-2H3,(H,25,26).
What are the key properties of (2-oxo-1,2-diphenylethyl) 3-acetamido-4-methylbenzoate?
(2-oxo-1,2-diphenylethyl) 3-acetamido-4-methylbenzoate has a molecular weight of 387.44 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,2-diphenylethyl) 3-acetamido-4-methylbenzoate is sourced from PubChem (CID 2934084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).